Geometry & MOs

Info

ID:	434050
PubChem CID:	135174203
Reduced:	F3N3H20C21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	427.187147
ΔH_f, kcal/mol:	-53.43
Dipole, Da:	1.93
IP(EA), eV:	-9.24(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-[3-[(azetidin-3-ylmethylamino)methyl]-5-prop-2-enoxyphenyl]ethenyl]-5-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC(=CC=C2)/C=C/C3=C(C=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations